SCHEMBL18129607

SCHEMBL18129607

O=C(OC1CCCC1)N1CC=C(c2c[nH]c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.45
TDO2 P48775 1/20 0.44
PIK3CA P42336 4/20 0.42
BTK Q06187 6/20 0.40
AXL P30530 1/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
MERTK Q12866 1/20 0.40
NTRK1 P04629 2/20 0.40
IL2 P60568 1/20 0.39
JAK2 O60674 1/20 0.39
KIT P10721 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18129505 0.92 PIK3CA (0.41) PIK3CABTKNTRK1KITPIK3CD
SCHEMBL18129537 0.89 BTK (0.42) MAP4K1BTKFLT3
SCHEMBL18129610 0.89 DYRK1A (0.49) MAP4K1TDO2BTKFLT3PIK3CG
SCHEMBL18129552 0.89 BTK (0.44) MAP4K1BTKFLT3
SCHEMBL18129470 0.88 GAA (0.44) MAP4K1TDO2PIK3CAAXLFLT3
SCHEMBL18129549 0.88 POLB (0.48) MAP4K1PIK3CAIL2KITKDM4E
SCHEMBL18129466 0.88 NTRK1 (0.48) MAP4K1BTKAXLFLT3TYRO3
SCHEMBL18129775 0.88 MAP4K1 (0.48) MAP4K1TDO2PIK3CABTKAXL
SCHEMBL18129641 0.87 BTK (0.43) MAP4K1BTKFLT3NTRK1
SCHEMBL18129513 0.87 IGF1R (0.45) MAP4K1BTKAXLFLT3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-03-26 US claimed
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-13 US claimed
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-03-26 US disclosed
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2019-03-26 US disclosed
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-13 US disclosed
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160297815-A1 7-AZAINDOLE OR 4,7-DIAZAINDOLE DERIVATIVES AS IKK EPSILON AND TBK1 INHIBITOR AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TANK, NFKBIA, TBK1 MAP4K1 766/4885TDO2 2170/4885PIK3CA 189/4885
US-10239873-B2 7-azaindole or 4,7-diazaindole derivatives as IKKϵ epsilon and TBK1 inhibitor and pharmaceutical composition comprising same NFKBIA, TANK, TBK1 MAP4K1 858/4885TDO2 2008/4885PIK3CA 204/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.